(Q104992390)

English

[(1R,2R,7R,9R,10R,11S,12R)-11-acetyloxy-10-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(1'R,2R,2'R,7'R,10'R,11'S)-11'-(acetyloxy)-10'-hydroxy-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-ylmethyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

380.147117728 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

4beta,15-Diacetoxy-3alpha-hydroxy-12,13-epoxytrichothec-9-en-8-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₄O₈

0 references

canonical SMILES

O=C(OCC12CC(=O)C(=CC2OC3C(O)C(OC(=O)C)C1(C)C43OC4)C)C

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isomeric SMILES

CC(=O)OC[C@]12CC(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@@]12CO2

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found in taxon

Fusarium cerealis

1 reference

stated in

Toxic trichothecenes from Fusarium sporotrichioides (MC-72083)

Fusarium sporotrichioides

1 reference

stated in

Toxic trichothecenes from Fusarium sporotrichioides (MC-72083)

Fusarium roseum

1 reference

stated in

Toxic trichothecenes from Fusarium sporotrichioides (MC-72083)

Fusarium sambucinum

1 reference

stated in

Toxic trichothecenes from Fusarium sporotrichioides (MC-72083)

Identifiers

InChI

InChI=1S/C19H24O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,13-16,23H,6-8H2,1-4H3/t13-,14-,15-,16-,17+,18-,19-/m1/s1

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InChIKey

FAQMCKSIBZGZIB-YOLPFRQPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FAQMCKSIBZGZIB-YOLPFRQPSA-N

(Q104992390)

[(1R,2R,7R,9R,10R,11S,12R)-11-acetyloxy-10-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate

Statements

Identifiers

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